(3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide

C23H38N2O2 — CID 67898864

IUPAC(3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(=O)N[C@@H]2CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@@]12C
InChIInChI=1S/C23H38N2O2/c1-21(2,3)25-20(27)17-13-19(26)24-18-9-8-14-15-7-6-11-22(15,4)12-10-16(14)23(17,18)5/h14-18H,6-13H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17?,18+,22-,23-/m0/s1
InChIKeyRKVNQBOUPIBOKY-SPQSCMKASA-N
MW374.57 g/mol
LogP4.04
Rot. Bonds1

About (3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide

(3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide (PubChem CID 67898864) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is (3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide.

Molecular Properties

Compound Name(3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide
PubChem CID67898864
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC Name(3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(=O)N[C@@H]2CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@@]12C
InChIInChI=1S/C23H38N2O2/c1-21(2,3)25-20(27)17-13-19(26)24-18-9-8-14-15-7-6-11-22(15,4)12-10-16(14)23(17,18)5/h14-18H,6-13H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17?,18+,22-,23-/m0/s1
InChIKeyRKVNQBOUPIBOKY-SPQSCMKASA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide?
The IUPAC name of (3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide (CID 67898864) is (3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide.
What is the SMILES notation for (3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide?
The canonical SMILES for (3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide is CC(C)(C)NC(=O)C1CC(=O)N[C@@H]2CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@@]12C.
What is the InChIKey of (3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide?
The InChIKey is RKVNQBOUPIBOKY-SPQSCMKASA-N. The full InChI is InChI=1S/C23H38N2O2/c1-21(2,3)25-20(27)17-13-19(26)24-18-9-8-14-15-7-6-11-22(15,4)12-10-16(14)23(17,18)5/h14-18H,6-13H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17?,18+,22-,23-/m0/s1.
What are the key properties of (3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide?
(3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide has a molecular weight of 374.57 g/mol, XLogP of 4.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,5aR,9aS,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-9-carboxamide is sourced from PubChem (CID 67898864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).